N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine

C10H18F2N2OS — CID 136896906

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C10H18F2N2OS/c1-7-5-8(2)16-10(14-7)13-3-4-15-6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyZMHVBJWKUCPBFW-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.13
Rot. Bonds5

About N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine

N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine (PubChem CID 136896906) has the molecular formula C10H18F2N2OS and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine
PubChem CID136896906
Molecular FormulaC10H18F2N2OS
Molecular Weight252.33 g/mol
Exact Mass252.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine
SMILESCC1CC(C)S/C(=N\CCOCC(F)F)N1
InChIInChI=1S/C10H18F2N2OS/c1-7-5-8(2)16-10(14-7)13-3-4-15-6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14)
InChIKeyZMHVBJWKUCPBFW-UHFFFAOYSA-N
XLogP2.13
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916874
N-[2-(2,2-difluoroethoxy)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916886
5-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 116267349
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 135998324
4-(2-methylpropyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazolidin-2-imine
CID 136148437
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136300315
4,6-dimethyl-N-(4,4,4-trifluorobutyl)-1,3-thiazinan-2-imine
CID 136755474
4-ethyl-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136757252
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-4-methyl-1,3-thiazinan-2-imine
CID 136757467
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136848288
4-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136848289
4-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazinan-2-imine
CID 136848565

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine (CID 136896906) is N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine is CC1CC(C)S/C(=N\CCOCC(F)F)N1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine?
The InChIKey is ZMHVBJWKUCPBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2OS/c1-7-5-8(2)16-10(14-7)13-3-4-15-6-9(11)12/h7-9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine?
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine has a molecular weight of 252.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethyl-1,3-thiazinan-2-imine is sourced from PubChem (CID 136896906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).